Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh
From MaRDI portal
Publication:717038
DOI10.1016/J.PHYSLETA.2008.05.075zbMATH Open1221.81225OpenAlexW2032569130MaRDI QIDQ717038FDOQ717038
Authors: Dier Zhang, L. Shen, Aihui Zhou, Xin-Gao Gong 
Publication date: 27 September 2011
Published in: Physics Letters. A (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.physleta.2008.05.075
Recommendations
- On the adaptive finite element analysis of the Kohn-Sham equations: methods, algorithms, and implementation
- Finite element approach for density functional theory calculations on locally-refined meshes
- Numerical solution of the Kohn-Sham equation by finite element methods with an adaptive mesh redistribution technique
- Real-time adaptive finite element solution of time-dependent Kohn-Sham equation
- An \(h\)-adaptive finite element solver for the calculations of the electronic structures
Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Many-body theory; quantum Hall effect (81V70) Statistical mechanics of solids (82D20)
Cites Work
- Toward the optimal preconditioned eigensolver: Locally optimal block preconditioned conjugate gradient method
- A Class of Methods for Solving Nonlinear Simultaneous Equations
- Electronic Structure
- Finite-element methods in electronic-structure theory
- Adaptive finite element algorithms for eigenvalue problems based on local averaging type a posteriori error estimates
Cited In (32)
- On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation
- Interpolation based local postprocessing for adaptive finite element approximations in electronic structure calculations
- A symmetry-based decomposition approach to eigenvalue problems
- \({h-P}\) finite element approximation for full-potential electronic structure calculations
- Radial and three-dimensional nonlocal pseudopotential calculations in gradient-corrected Kohn-Sham density functional theory based on higher-order finite element methods
- Higher-order adaptive finite-element methods for orbital-free density functional theory
- On the adaptive finite element analysis of the Kohn-Sham equations: methods, algorithms, and implementation
- A finite element algorithm using linear tetrahedral elements for quantum mechanical calculations
- Optimized local basis set for Kohn-Sham density functional theory
- Convergent and Orthogonality Preserving Schemes for Approximating the Kohn-Sham Orbitals
- NURBS-based non-periodic finite element framework for Kohn-Sham density functional theory calculations
- Towards chemical accuracy using a multi-mesh adaptive finite element method in all-electron density functional theory
- Real-space density functional theory and time dependent density functional theory using finite/infinite element methods
- Higher-order finite element methods for Kohn-Sham density functional theory
- A parallel orbital-updating based optimization method for electronic structure calculations
- Adaptive Finite Element Approximations for Kohn--Sham Models
- A singularity-based eigenfunction decomposition for Kohn-Sham equations
- Higher-order adaptive finite-element methods for Kohn-Sham density functional theory
- Accurate finite element method for atomic calculations based on density functional theory and Hartree-Fock method
- Variationally consistent Hellmann-Feynman forces in the finite element formulation of Kohn-Sham density functional theory
- An adaptive finite volume method for 2D steady Euler equations with WENO reconstruction
- 科恩-沈方程与含时科恩-沈方程的一个自适应有限元数值方法
- A Kohn-Sham equation solver based on hexahedral finite elements
- An \(h\)-adaptive finite element solver for the calculations of the electronic structures
- B-splines and NURBS based finite element methods for Kohn-Sham equations
- A mesh-free convex approximation scheme for Kohn-sham density functional theory
- A finite element recovery approach to eigenvalue approximations with applications to electronic structure calculations
- Numerical solution of the Kohn-Sham equation by finite element methods with an adaptive mesh redistribution technique
- A multilevel correction adaptive finite element method for Kohn-Sham equation
- Hybrid finite element/multipole expansion method for atomic Kohn-Sham density functional theory calculations
- Parallel mesh refinement of higher order finite elements for electronic structure calculations
- Real-time adaptive finite element solution of time-dependent Kohn-Sham equation
This page was built for publication: Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q717038)
